4-(4-ethylcyclohex-3-en-1-yl)morpholine

C12H21NO — CID 91088513

IUPAC4-(4-ethylcyclohex-3-en-1-yl)morpholine
SMILESCCC1=CCC(N2CCOCC2)CC1
InChIInChI=1S/C12H21NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h3,12H,2,4-10H2,1H3
InChIKeyYCEWSARIUWXVAV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds2

About 4-(4-ethylcyclohex-3-en-1-yl)morpholine

4-(4-ethylcyclohex-3-en-1-yl)morpholine (PubChem CID 91088513) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(4-ethylcyclohex-3-en-1-yl)morpholine.

Molecular Properties

Compound Name4-(4-ethylcyclohex-3-en-1-yl)morpholine
PubChem CID91088513
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(4-ethylcyclohex-3-en-1-yl)morpholine
SMILESCCC1=CCC(N2CCOCC2)CC1
InChIInChI=1S/C12H21NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h3,12H,2,4-10H2,1H3
InChIKeyYCEWSARIUWXVAV-UHFFFAOYSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohex-3-en-1-yl)morpholine?
The IUPAC name of 4-(4-ethylcyclohex-3-en-1-yl)morpholine (CID 91088513) is 4-(4-ethylcyclohex-3-en-1-yl)morpholine.
What is the SMILES notation for 4-(4-ethylcyclohex-3-en-1-yl)morpholine?
The canonical SMILES for 4-(4-ethylcyclohex-3-en-1-yl)morpholine is CCC1=CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-(4-ethylcyclohex-3-en-1-yl)morpholine?
The InChIKey is YCEWSARIUWXVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h3,12H,2,4-10H2,1H3.
What are the key properties of 4-(4-ethylcyclohex-3-en-1-yl)morpholine?
4-(4-ethylcyclohex-3-en-1-yl)morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohex-3-en-1-yl)morpholine is sourced from PubChem (CID 91088513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).